2,5-Diazabicyclo(2.2.2)octane

HCID 423347
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Basic information

CAS
658-24-2
Standard SMILES
C1CC2CNC1CN2
InChIKey
DJWDAKFSDBOQJK-UHFFFAOYSA-N
Molecular formula
C6H12N2
Average molar mass
112.17 g/mol
Monoisotopic mass
112.10004839

Names & identifiers

Preferred name
2,5-Diazabicyclo(2.2.2)octane
IUPAC
2,5-diazabicyclo[2.2.2]octane
English name
2,5-Diazabicyclo[2.2.2]octane
Molecular formula
C6H12N2
Molecular weight
112.17

Names & synonyms

2,5-diazabicyclo[2.2.2]octane658-24-2DTXSID303297312,5-Diazabicyclo(2.2.2)octaneRefChem:908807DTXCID402808292,5-DIAZA-BICYCLO[2.2.2]OCTANEMFCD086946431187931-60-7194600-16-3(1R,4R)-rel-2,5-Diazabicyclo[2.2.2]octaneSCHEMBL55147
Show more names
AKOS 915972,5-Diazabicyclo[2.2.2]octane (7CI, 8CI, 9CI, ACI)
SCHEMBL194038SCHEMBL286259SCHEMBL15192048DJWDAKFSDBOQJK-UHFFFAOYSA-NAKOS006239038SB31433SB34825SB38164

Database identifiers

CAS
658-24-2
PubChem CID
423347
DTXSID
DTXSID30329731
Nikkaji
J79.779K

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
24.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Boiling point
196.3 · 196.3±8.0 °C(Predicted)
Density
0.975 · 0.975±0.06 g/cm3(Predicted)
storage temp.
0 · Store at 0-8 °C
pka
10.76 · 10.76±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Upstream & downstream products

Suppliers13 total

奥夫仑医药（四川）有限公司17336178085 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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